2-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine

C11H17N7O2 — CID 79077935

IUPAC2-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine
SMILESCN1CCOC(c2noc(-c3cn(CCN)nn3)n2)C1
InChIInChI=1S/C11H17N7O2/c1-17-4-5-19-9(7-17)10-13-11(20-15-10)8-6-18(3-2-12)16-14-8/h6,9H,2-5,7,12H2,1H3
InChIKeyYQSXLRZCCBWFMR-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.71
Rot. Bonds4

About 2-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine

2-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine (PubChem CID 79077935) has the molecular formula C11H17N7O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine
PubChem CID79077935
Molecular FormulaC11H17N7O2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Name2-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine
SMILESCN1CCOC(c2noc(-c3cn(CCN)nn3)n2)C1
InChIInChI=1S/C11H17N7O2/c1-17-4-5-19-9(7-17)10-13-11(20-15-10)8-6-18(3-2-12)16-14-8/h6,9H,2-5,7,12H2,1H3
InChIKeyYQSXLRZCCBWFMR-UHFFFAOYSA-N
XLogP-0.71
TPSA108.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[4-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine
CID 103344350
2-[4-[3-(3-ethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine
CID 115385315
2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
CID 75483942
1-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 79078237
3-methyl-2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79078448
2-fluoro-5-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79077241
2-bromo-4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79078232
2-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
CID 75483946
3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 79086384
2-methyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 82831065
4-chloro-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79077142
2-[4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine
CID 79613967

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine?
The IUPAC name of 2-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine (CID 79077935) is 2-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine is CN1CCOC(c2noc(-c3cn(CCN)nn3)n2)C1.
What is the InChIKey of 2-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine?
The InChIKey is YQSXLRZCCBWFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O2/c1-17-4-5-19-9(7-17)10-13-11(20-15-10)8-6-18(3-2-12)16-14-8/h6,9H,2-5,7,12H2,1H3.
What are the key properties of 2-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine?
2-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine has a molecular weight of 279.30 g/mol, XLogP of -0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine is sourced from PubChem (CID 79077935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).